N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide

C20H23Cl2N3O3 — CID 167979688

About N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide

N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide (PubChem CID 167979688) has the molecular formula C20H23Cl2N3O3 and a molecular weight of 424.33 g/mol. Its IUPAC name is N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide
• PubChem CID: 167979688
• Molecular Formula: C20H23Cl2N3O3
• Molecular Weight: 424.33 g/mol
• Exact Mass: 423.11
• IUPAC Name: N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide
• SMILES: CN(C)CCOc1ccc(C(=O)N(C)C2c3cc(Cl)cc(Cl)c3CC2O)cn1
• InChI: InChI=1S/C20H23Cl2N3O3/c1-24(2)6-7-28-18-5-4-12(11-23-18)20(27)25(3)19-15-8-13(21)9-16(22)14(15)10-17(19)26/h4-5,8-9,11,17,19,26H,6-7,10H2,1-3H3
• InChIKey: OFLPIBJUJDJFJU-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 65.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.33
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide?

The IUPAC name of N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide (CID 167979688) is N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide?

The canonical SMILES for N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide is CN(C)CCOc1ccc(C(=O)N(C)C2c3cc(Cl)cc(Cl)c3CC2O)cn1.

What is the InChIKey of N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide?

The InChIKey is OFLPIBJUJDJFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3/c1-24(2)6-7-28-18-5-4-12(11-23-18)20(27)25(3)19-15-8-13(21)9-16(22)14(15)10-17(19)26/h4-5,8-9,11,17,19,26H,6-7,10H2,1-3H3.

What are the key properties of N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide?

N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide has a molecular weight of 424.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 167979688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).